Cycloheptatriene

Cycloheptatriene (CHT) is an organic compound with the formula C₇H₈. It is a closed ring of seven carbon atoms joined by three double bonds (as the name implies) and four single bonds. This colourless liquid has been of recurring theoretical interest in organic chemistry. It is a ligand in organometallic chemistry and a building block in organic synthesis. Cycloheptatriene is not aromatic, as reflected by the nonplanarity of the methylene bridge (-CH₂-) with respect to the other atoms; however the related tropylium cation is.

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Cycloheptatriene

Names
Preferred IUPAC name Cyclohepta-1,3,5-triene[1]
Other names 1,3,5-Cycloheptatriene 1H-[7]Annulene CHT Tropilidene
Identifiers
CAS Number	544-25-2 Y
3D model (JSmol)	Interactive image
Beilstein Reference	506066
ChEBI	CHEBI:37519 Y
ChemSpider	10534 Y
ECHA InfoCard	100.008.061
EC Number	208-866-3
Gmelin Reference	1943
PubChem CID	11000
UNII	P58Q106NTF Y
UN number	2603
CompTox Dashboard (EPA)	DTXSID5073909
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 Y Key: CHVJITGCYZJHLR-UHFFFAOYSA-N Y InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 Key: CHVJITGCYZJHLR-UHFFFAOYAI
SMILES C1=C\C/C=C\C=C1
Properties
Chemical formula	C7H8
Molar mass	92.141 g·mol−1
Appearance	Colourless liquid
Density	0.888 g/mL at 25 °C
Melting point	−80 °C (−112 °F; 193 K)
Boiling point	116 °C (241 °F; 389 K)
Solubility in water	Insoluble in water
Acidity (pKa)	36
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H301, H304, H311, H315, H319, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P330, P331, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references